2-(4-Piperidyl)benzoxazole - CAS 51784-03-3
Catalog: |
BB027584 |
Product Name: |
2-(4-Piperidyl)benzoxazole |
CAS: |
51784-03-3 |
Synonyms: |
2-(4-piperidinyl)-1,3-benzoxazole; 2-piperidin-4-yl-1,3-benzoxazole |
IUPAC Name: | 2-piperidin-4-yl-1,3-benzoxazole |
Description: | 2-(4-Piperidyl)benzoxazole (CAS# 51784-03-3) is a useful research chemical. |
Molecular Weight: | 202.25 |
Molecular Formula: | C12H14N2O |
Canonical SMILES: | C1CNCCC1C2=NC3=CC=CC=C3O2 |
InChI: | InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2 |
InChI Key: | YHVZEPIEDXIJJT-UHFFFAOYSA-N |
Boiling Point: | 331.6 ℃ at 760 mmHg |
Density: | 1.143 g/cm3 |
MDL: | MFCD01475844 |
LogP: | 2.62360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
JP-2018111688-A | Pharmaceutical composition | 20170106 |
JP-6856555-B2 | Pharmaceutical composition | 20170106 |
CN-110072860-A | It can be used as the compound of immunomodulator | 20161220 |
US-10961238-B2 | Modulators of hedgehog (Hh) signaling pathway | 20161026 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.110613074 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Related Functional Groups
Piperidines
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